4-butyl-2-propylpyrimidine

C11H18N2 — CID 20597890

IUPAC4-butyl-2-propylpyrimidine
SMILESCCCCc1ccnc(CCC)n1
InChIInChI=1S/C11H18N2/c1-3-5-7-10-8-9-12-11(13-10)6-4-2/h8-9H,3-7H2,1-2H3
InChIKeyALJJVSINUWCTFK-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.77
Rot. Bonds5

About 4-butyl-2-propylpyrimidine

4-butyl-2-propylpyrimidine (PubChem CID 20597890) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 4-butyl-2-propylpyrimidine.

Molecular Properties

Compound Name4-butyl-2-propylpyrimidine
PubChem CID20597890
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name4-butyl-2-propylpyrimidine
SMILESCCCCc1ccnc(CCC)n1
InChIInChI=1S/C11H18N2/c1-3-5-7-10-8-9-12-11(13-10)6-4-2/h8-9H,3-7H2,1-2H3
InChIKeyALJJVSINUWCTFK-UHFFFAOYSA-N
XLogP2.77
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

azane;2,4-dipropylpyrimidine
CID 174500974
2-(2-propylpyrimidin-4-yl)ethanamine
CID 62744687
2-(3-methylhexyl)-4-propylpyrimidine
CID 142121373
N,N-diethyl-3-(2-ethylpyrimidin-4-yl)propan-1-amine
CID 67812536
1-(4-propylpyrimidin-2-yl)propan-2-one
CID 116901542
N-ethyl-3-(4-propylpyrimidin-2-yl)propanamide
CID 71109501
4-nonadecylpyrimidin-2-amine
CID 141119145
2-methyl-3-(4-propylpyrimidin-2-yl)propan-1-amine
CID 116898245
2,4-bis(2-methoxyethyl)pyrimidine
CID 174836180
N-methyl-2-propylpyrimidin-4-amine
CID 62192009
4-hexyl-2-pyrimidin-2-ylpyrimidine
CID 67173308
4,6-di(octacosyl)-2-propylpyrimidine
CID 91419921

Frequently Asked Questions

What is the IUPAC name of 4-butyl-2-propylpyrimidine?
The IUPAC name of 4-butyl-2-propylpyrimidine (CID 20597890) is 4-butyl-2-propylpyrimidine.
What is the SMILES notation for 4-butyl-2-propylpyrimidine?
The canonical SMILES for 4-butyl-2-propylpyrimidine is CCCCc1ccnc(CCC)n1.
What is the InChIKey of 4-butyl-2-propylpyrimidine?
The InChIKey is ALJJVSINUWCTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-3-5-7-10-8-9-12-11(13-10)6-4-2/h8-9H,3-7H2,1-2H3.
What are the key properties of 4-butyl-2-propylpyrimidine?
4-butyl-2-propylpyrimidine has a molecular weight of 178.28 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2-propylpyrimidine is sourced from PubChem (CID 20597890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).